For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester
SpectraBase Compound ID CjBno8xKSQw
InChI InChI=1S/C18H27F7O4/c1-4-7-8-9-10-11-28-13(26)15(5-2,6-3)14(27)29-12-16(19,20)17(21,22)18(23,24)25/h4-12H2,1-3H3
InChIKey BGICUZPKOFZWII-UHFFFAOYSA-N
Mol Weight 440.4 g/mol
Molecular Formula C18H27F7O4
Exact Mass 440.179756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ENoGtZXRF9d
Name Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.179756486 u
Formula C18H27F7O4
InChI InChI=1S/C18H27F7O4/c1-4-7-8-9-10-11-28-13(26)15(5-2,6-3)14(27)29-12-16(19,20)17(21,22)18(23,24)25/h4-12H2,1-3H3
InChIKey BGICUZPKOFZWII-UHFFFAOYSA-N
Molecular Weight 440.399 g/mol
SMILES CCC(C(OCCCCCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC